Compound Detail
CHEMBL3251780
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Basic Information
| ChEMBL ID | CHEMBL3251780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLQLAFQJNIDTOW-YLAFAASESA-N |
| Parent Compound | CHEMBL3302887 |
| Active Moiety | CHEMBL3302887 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
1.81
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felis catus CHEMBL612670 | Kd | 6.82 | 6.56 | 151.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felis catus | Kd | = | 151.36 | nM | 6.82 | In vivo inhibition of beta-2 adrenoceptor in chloralose-anesthetized vagotomized... | 27636 |
| Felis catus | Kd | = | 501.19 | nM | 6.3 | In vivo inhibition of beta-1 adrenoceptor in vagotomized cat assessed as inhibit... | 27636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27636 | 10.1021/jm00205a016 | Felis catus | 4 |
| 27636 | 10.1021/jm00205a016 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine